CID 202093

7477-24-9

Structural Information

Molecular Formula
C21H31NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O
InChI
InChI=1S/C21H31NO3/c1-3-22(4-2)15-16-25-21(24)19(17-11-7-5-8-12-17)20(23)18-13-9-6-10-14-18/h5-9,11-12,18-20,23H,3-4,10,13-16H2,1-2H3
InChIKey
HRCOKXUTLNEIOQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 186.9
[M+Na]+ 368.21962 195.4
[M+NH4]+ 363.26422 193.2
[M+K]+ 384.19356 189.7
[M-H]- 344.22312 190.0
[M+Na-2H]- 366.20507 191.8
[M]+ 345.22985 188.7
[M]- 345.23095 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.